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Dive into the research topics where David H. Snydacker is active.

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Featured researches published by David H. Snydacker.


Nature Communications | 2016

High-throughput computational design of cathode coatings for Li-ion batteries

Muratahan Aykol; Soo Kim; Vinay Hegde; David H. Snydacker; Zhi Lu; Shiqiang Hao; Scott Kirklin; Dane Morgan; C. Wolverton

Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than 130,000 oxygen-bearing materials, we suggest physical and hydrofluoric-acid barrier coatings such as WO3, LiAl5O8 and ZrP2O7 and hydrofluoric-acid scavengers such as Sc2O3, Li2CaGeO4, LiBO2, Li3NbO4, Mg3(BO3)2 and Li2MgSiO4. Using a design strategy to find the thermodynamically optimal coatings for a cathode, we further present optimal hydrofluoric-acid scavengers such as Li2SrSiO4, Li2CaSiO4 and CaIn2O4 for the layered LiCoO2, and Li2GeO3, Li4NiTeO6 and Li2MnO3 for the spinel LiMn2O4 cathodes. These coating materials have the potential to prolong the cycle-life of Li-ion batteries and surpass the performance of common coatings based on conventional materials such as Al2O3, ZnO, MgO or ZrO2.


Journal of Physical Chemistry C | 2016

Transition-Metal Mixing and Redox Potentials in Lix(M1–yM′y)PO4 (M, M′ = Mn, Fe, Ni) Olivine Materials from First-Principles Calculations

David H. Snydacker; C. Wolverton


Journal of The Electrochemical Society | 2016

Lithium-Ion Cathode/Coating Pairs for Transition Metal Containment

David H. Snydacker; Muratahan Aykol; Scott Kirklin; C. Wolverton


Physical Review B | 2017

Oxygen evolution from olivine Mn1-xMxPO4 (M = Fe, Ni, Al, Mg) delithiated cathode materials

David H. Snydacker; C. Wolverton


Journal of The Electrochemical Society | 2017

Electrochemically stable coating materials for Li, Na, and Mg metal anodes in durable high energy batteries

David H. Snydacker; Vinay Hegde; C. Wolverton


Chemistry of Materials | 2018

Computational Discovery of Li–M–O Ion Exchange Materials for Lithium Extraction from Brines

David H. Snydacker; Vinay Hegde; Muratahan Aykol; C. Wolverton


Archive | 2017

Protective anode coatings for high energy batteries

Vinay Hegde; David H. Snydacker; C. Wolverton


Archive | 2017

Protective cathode coatings for lithium-ion batteries

Muratahan Aykol; Soo Kim; Shiqiang Hao; Zhi Lu; Vinay Hegde; David H. Snydacker; Scott Kirklin; Dane Morgan; C. Wolverton


Archive | 2017

COMPOUNDS FOR LITHIUM EXTRACTION VIA ION EXCHANGE

David H. Snydacker; Vinay Hegde; Muratahan Aykol; C. Wolverton


227th ECS Meeting (May 24-28, 2015) | 2015

First Principles Calculations of Transition Metal Containment in Li-Ion Cathode Materials with Surface Coatings

David H. Snydacker; Scott Kirklin; C. Wolverton

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C. Wolverton

Northwestern University

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Vinay Hegde

Indian Institute of Science

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Scott Kirklin

Argonne National Laboratory

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Dane Morgan

Northwestern University

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Shiqiang Hao

Northwestern University

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Soo Kim

Northwestern University

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Zhi Lu

Northwestern University

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